(4-cyanophenyl) 4-(4-butylcyclohexa-1,3-dien-1-yl)-2,6-bis(fluoranyl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(4-butylcyclohexa-1,3-dien-1-yl)-2,6-bis(fluoranyl)benzoate Openeye Name: (4-cyanophenyl) 4-(4-butylcyclohexa-1,3-dien-1-yl)-2,6-difluoro-benzoate CAS Name: 4-(4-butyl-1-cyclohexa-1,3-dienyl)-2,6-difluorobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(4-butylcyclohexa-1,3-dien-1-yl)-2,6-difluorobenzoate Traditional Name: 4-(4-butylcyclohexa-1,3-dien-1-yl)-2,6-difluoro-benzoic acid (4-cyanophenyl) ester Formula: C24H21F2NO2 MolecularWeight: 393.425846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1=CC=C(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C24H21F2NO2/c1-2-3-4-16-5-9-18(10-6-16)19-13-21(25)23(22(26)14-19)24(28)29-20-11-7-17(15-27)8-12-20/h5,7-9,11-14H,2-4,6,10H2,1H3